2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide

C20H25F3N4O5S — CID 23585841

IUPAC2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide
SMILESCNS(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1=O
InChIInChI=1S/C20H25F3N4O5S/c1-12(2)17(18(29)20(21,22)23)25-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)26-33(31,32)24-3/h4-10,12,17-18,24,26,29H,11H2,1-3H3,(H,25,28)/t17-,18-/m0/s1
InChIKeyVTKBPMHVWPRNHP-ROUUACIJSA-N
MW490.50 g/mol
LogP1.46
Rot. Bonds9

About 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide

2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide (PubChem CID 23585841) has the molecular formula C20H25F3N4O5S and a molecular weight of 490.50 g/mol. Its IUPAC name is 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide.

Molecular Properties

Compound Name2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide
PubChem CID23585841
Molecular FormulaC20H25F3N4O5S
Molecular Weight490.50 g/mol
Exact Mass490.15
IUPAC Name2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide
SMILESCNS(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1=O
InChIInChI=1S/C20H25F3N4O5S/c1-12(2)17(18(29)20(21,22)23)25-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)26-33(31,32)24-3/h4-10,12,17-18,24,26,29H,11H2,1-3H3,(H,25,28)/t17-,18-/m0/s1
InChIKeyVTKBPMHVWPRNHP-ROUUACIJSA-N
XLogP1.46
TPSA129.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-Oxo-3-[[(methylamino)sulfonyl]amino]-6-phenyl-N-[1-(trifluoroacetyl)-2-methylpropyl]pyridine-1(2H)-acetamide
CID 1636
2-(3-methylsulfonylamino-2-oxo-6-phenyl-1,2-dihydro-1-pyridyl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide
CID 10027816
2-(2-Oxo-6-phenyl-3-trifluoromethanesulfonylamino-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 9984374
2-(3-Acetylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10071747
2-{3-[Benzylamino-sulfanylamino]-2-oxo-6-phenyl-2H-pyridin-1-yl}-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10347891
2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 10457598
2-(3-Formylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10477377
2-[3-((S)-2-Morpholin-4-yl-acetylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10481845
2,2,2-Trifluoro-N-{2-oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-acetamide
CID 10323328
N-{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-oxalamic acid
CID 10389844
3-(((Methylamino)sulfonyl)amino)-2-oxo-6-phenyl-N-(3,3,3-trifluoro-1-(1-methylethyl)-2-oxophenyl)-1(2H)-pyridine acetamide
CID 5289460
1-(2-hydroxypropyl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 397739

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide?
The IUPAC name of 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide (CID 23585841) is 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide.
What is the SMILES notation for 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide?
The canonical SMILES for 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide is CNS(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1=O.
What is the InChIKey of 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide?
The InChIKey is VTKBPMHVWPRNHP-ROUUACIJSA-N. The full InChI is InChI=1S/C20H25F3N4O5S/c1-12(2)17(18(29)20(21,22)23)25-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)26-33(31,32)24-3/h4-10,12,17-18,24,26,29H,11H2,1-3H3,(H,25,28)/t17-,18-/m0/s1.
What are the key properties of 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide?
2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide has a molecular weight of 490.50 g/mol, XLogP of 1.46, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide is sourced from PubChem (CID 23585841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).